Name: Sebastian Ehlert
Type: User
Company: Microsoft Research AI4Science
Bio: Theoretical chemist, computational chemistry researcher, developing semi-empirical quantum chemistry in Fortran, Python, and sporadically C++.
Location: Amsterdam, Netherlands
Sebastian Ehlert's Projects
A conda-smithy repository for mechasvg.
The Meson Build System
Meson PEP 517 Python build backend
A conda-smithy repository for meson-python.
Modern Fortran Interfaces to BLAS and LAPACK
Package scripts for MinGW-w64 targets to build under MSYS2.
MSYS2 package build for the Fortran package manager (fpm)
MSYS2 package file for xtb
Modernized Minpack
Arch Linux package build file for Multi-Level IR compiler framework for LLVM
Arch Linux package build file for molden viewer
code for single-ended and double-ended molecular GSM
Input parser for different JSON based standarized chemical input formats.
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
A Monte Carlo simulation for LJ-particles
Molecular Orbital PACkage
A conda-smithy repository for mopac.
Modern Fortran wrappers around MPI routines
A conda-smithy repository for mpifx.
Fortran wrappers for MPI
A conda-smithy repository for mpl-sphinx-theme.
Molecular structure store for testing
LaTeX beamer theme
Electronegativity equilibration model for charges and multipoles
A conda-smithy repository for nauty.
A conda-smithy repository for ninja.
library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization
Fortran bindings for the NLopt library
A massively parallel library for computing the functions of sparse matrices.
A conda-smithy repository for ntpoly.